Systematic derivation of angular-averaged Ewald potential
نویسندگان
چکیده
In this work we provide a step by derivation of an angular--averaged Ewald potential suitable for numerical simulations disordered Coulomb systems. The was first introduced E.\,Yakub and C.\,Ronchi without clear derivation. Two methods are used to find the coefficients series expansion potential: based on Euler--Maclaurin Poisson summation formulas. expressions each coefficient is represented as finite containing derivatives Jacobi theta functions. We also demonstrate formal equivalence formulas in three-dimensional case. effectiveness shown example calculating Madelung constant number crystal lattices.
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ژورنال
عنوان ژورنال: Journal of Physics A
سال: 2022
ISSN: ['1751-8113', '1751-8121']
DOI: https://doi.org/10.1088/1751-8121/ac870b